HRID293771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID20547

alpha-Acetylphenylacetonitrile

C10H9NO

HCID27099

Copper(2+)

Cu+2

HCID619275

3-Iodoisonicotinic acid

C6H4INO2

HCID68819737

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1-n1nc(C)c(-c2ccccc2)c1Nc1cnccc1C(=O)O

HCID44193429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89ed726e1e9b48779b55ff38dfdc9abb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:11](=[O:12])([O-:13])[O-:14].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[Cu+2:59].[F:17][c:18]1[cH:19][cH:20][c:21]([CH3:37])[c:22](-[n:24]2[n:25][c:26]([CH3:36])[c:27](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:28]2[NH2:29])[cH:23]1.[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][n:9][cH:10]1.[K+:15].[K+:16].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[c:38]1([CH:39]([C:40]([CH3:41])=[O:42])[C:43]#[N:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([NH:29][c:28]2[n:24](-[c:22]3[c:21]([CH3:37])[cH:20][cH:19][c:18]([F:17])[cH:23]3)[n:25][c:26]([CH3:36])[c:27]2-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][n:9][cH:10]1